| Properties | Image |
|---|
| MNX_ID | MNXM1100753 |
 |
| reference | chebi:66226 |
| formula | C30H44N2O8S2 |
| global charge | 0 |
| mol weight | 624.822 |
| InChIKey | FCMYPMGTCIMUMZ-DJKNXTBSSA-N |
| InChI | InChI=1S/C30H44N2O8S2/c1-19(14-22-16-24(34)30(38,18-40-22)12-9-10-20(2)21(3)33)15-26(36)39-13-8-6-4-5-7-11-25(35)32-27-28-23(17-41-42-28)31-29(27)37/h9-10,15,17,20-22,24,33-34,38H,4-8,11-14,16,18H2,1-3H3,(H,31,37)(H,32,35)/b10-9+,19-15+ |
| SMILES | C/C(=C\C(=O)OCCCCCCCC(=O)NC1=C2SSC=C2NC1=O)CC1CC(O)C(O)(C/C=C/C(C)C(C)O)CO1 |
MNX internals
| InChI (mnx) | InChI=1/C30H44N2O8S2/c1-19(14-22-16-24(34)30(38,18-40-22)12-9-10-20(2)21(3)33)15-26(36)39-13-8-6-4-5-7-11-25(35)32-27-28-23(17-41-42-28)31-29(27)37/h9-10,15,17,20-22,24,33-34,38H,4-8,11-14,16,18H2,1-3H3,(H,31,37)(H,32,35)/b10-9+,19-15+/t20?,21?,22?,24?,30? |
 |
| SMILES (mnx) | [CH3:1]/[C:19]([CH2:14][CH:22]1[CH2:16][CH:24]([OH:34])[C:30]([CH2:12]/[CH:9]=[CH:10]/[CH:20]([CH3:2])[CH:21]([CH3:3])[OH:33])([OH:38])[CH2:18][O:40]1)=[CH:15]\[C:26](=[O:36])[O:39][CH2:13][CH2:8][CH2:6][CH2:4][CH2:5][CH2:7][CH2:11][C:25](=[N:32][C:27]1=[C:28]2[C:23](=[CH:17][S:41][S:42]2)[N:31]=[C:29]1[OH:37])[OH:35] |
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